N-cyclopropyl-3-[[4-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]methoxy]benzoyl]amino]-4-methyl-N-phenylbenzamide

C34H36N4O4 — CID 67207223

IUPACN-cyclopropyl-3-[[4-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]methoxy]benzoyl]amino]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)N(c2ccccc2)C2CC2)cc1NC(=O)c1ccc(OCc2ccc(OCCN(C)C)cn2)cc1
InChIInChI=1S/C34H36N4O4/c1-24-9-10-26(34(40)38(29-14-15-29)28-7-5-4-6-8-28)21-32(24)36-33(39)25-11-16-30(17-12-25)42-23-27-13-18-31(22-35-27)41-20-19-37(2)3/h4-13,16-18,21-22,29H,14-15,19-20,23H2,1-3H3,(H,36,39)
InChIKeyQEAKNPYLXXWNCO-UHFFFAOYSA-N
MW564.69 g/mol
LogP5.97
Rot. Bonds12

About N-cyclopropyl-3-[[4-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]methoxy]benzoyl]amino]-4-methyl-N-phenylbenzamide

N-cyclopropyl-3-[[4-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]methoxy]benzoyl]amino]-4-methyl-N-phenylbenzamide (PubChem CID 67207223) has the molecular formula C34H36N4O4 and a molecular weight of 564.69 g/mol. Its IUPAC name is N-cyclopropyl-3-[[4-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]methoxy]benzoyl]amino]-4-methyl-N-phenylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[4-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]methoxy]benzoyl]amino]-4-methyl-N-phenylbenzamide
PubChem CID67207223
Molecular FormulaC34H36N4O4
Molecular Weight564.69 g/mol
Exact Mass564.27
IUPAC NameN-cyclopropyl-3-[[4-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]methoxy]benzoyl]amino]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)N(c2ccccc2)C2CC2)cc1NC(=O)c1ccc(OCc2ccc(OCCN(C)C)cn2)cc1
InChIInChI=1S/C34H36N4O4/c1-24-9-10-26(34(40)38(29-14-15-29)28-7-5-4-6-8-28)21-32(24)36-33(39)25-11-16-30(17-12-25)42-23-27-13-18-31(22-35-27)41-20-19-37(2)3/h4-13,16-18,21-22,29H,14-15,19-20,23H2,1-3H3,(H,36,39)
InChIKeyQEAKNPYLXXWNCO-UHFFFAOYSA-N
XLogP5.97
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide
CID 11167366
3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 46409789
N-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 68746808
3-benzamido-N-cyclopentyl-N-ethyl-4-methylbenzamide
CID 55632308
N-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 141233579
3-benzamido-N,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 46410979
3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid
CID 24695586
3-benzamido-4-methyl-N,N-dipropylbenzamide
CID 17226384
4-[2-[N-acetyl-4-[cyclopropyl-[(2-methylphenyl)carbamoyl]amino]-3-methoxyanilino]ethoxy]benzoic acid
CID 23512197
N-[2-[2-(dimethylamino)ethoxy]phenyl]-4-phenylbenzamide
CID 18672579
N-(2,5-dimethylphenyl)-4-pentoxybenzamide
CID 4935012
3-(2-aminopyrimidin-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzamide
CID 70860455

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[4-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]methoxy]benzoyl]amino]-4-methyl-N-phenylbenzamide?
The IUPAC name of N-cyclopropyl-3-[[4-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]methoxy]benzoyl]amino]-4-methyl-N-phenylbenzamide (CID 67207223) is N-cyclopropyl-3-[[4-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]methoxy]benzoyl]amino]-4-methyl-N-phenylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[[4-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]methoxy]benzoyl]amino]-4-methyl-N-phenylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[[4-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]methoxy]benzoyl]amino]-4-methyl-N-phenylbenzamide is Cc1ccc(C(=O)N(c2ccccc2)C2CC2)cc1NC(=O)c1ccc(OCc2ccc(OCCN(C)C)cn2)cc1.
What is the InChIKey of N-cyclopropyl-3-[[4-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]methoxy]benzoyl]amino]-4-methyl-N-phenylbenzamide?
The InChIKey is QEAKNPYLXXWNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N4O4/c1-24-9-10-26(34(40)38(29-14-15-29)28-7-5-4-6-8-28)21-32(24)36-33(39)25-11-16-30(17-12-25)42-23-27-13-18-31(22-35-27)41-20-19-37(2)3/h4-13,16-18,21-22,29H,14-15,19-20,23H2,1-3H3,(H,36,39).
What are the key properties of N-cyclopropyl-3-[[4-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]methoxy]benzoyl]amino]-4-methyl-N-phenylbenzamide?
N-cyclopropyl-3-[[4-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]methoxy]benzoyl]amino]-4-methyl-N-phenylbenzamide has a molecular weight of 564.69 g/mol, XLogP of 5.97, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[4-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]methoxy]benzoyl]amino]-4-methyl-N-phenylbenzamide is sourced from PubChem (CID 67207223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).