N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide

C22H29N3O4 — CID 120603434

IUPACN-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)NCCN)ccc1OCCC(C)C
InChIInChI=1S/C22H29N3O4/c1-15(2)10-13-29-19-9-8-16(14-20(19)28-3)21(26)25-18-7-5-4-6-17(18)22(27)24-12-11-23/h4-9,14-15H,10-13,23H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyXQGVOORDWVOXSO-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.06
Rot. Bonds10

About N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide

N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide (PubChem CID 120603434) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide
PubChem CID120603434
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)NCCN)ccc1OCCC(C)C
InChIInChI=1S/C22H29N3O4/c1-15(2)10-13-29-19-9-8-16(14-20(19)28-3)21(26)25-18-7-5-4-6-17(18)22(27)24-12-11-23/h4-9,14-15H,10-13,23H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyXQGVOORDWVOXSO-UHFFFAOYSA-N
XLogP3.06
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride
CID 120603887
3,4-dimethoxy-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 18089928
N-[2-(2-aminoethylcarbamoyl)phenyl]-4-cyclopentyloxy-3-methoxybenzamide;hydrochloride
CID 120603998
3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
1-(2-fluorophenyl)-3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]thiourea
CID 8788648
N-(2-aminoethyl)-2-[2-(3-methylbutoxy)propanoylamino]benzamide
CID 120604319
2-benzamido-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26549757
N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
CID 51186820
3-bromo-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 17148476
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120505097
N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112790971
N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide
CID 100592155

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide (CID 120603434) is N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide is COc1cc(C(=O)Nc2ccccc2C(=O)NCCN)ccc1OCCC(C)C.
What is the InChIKey of N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide?
The InChIKey is XQGVOORDWVOXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-15(2)10-13-29-19-9-8-16(14-20(19)28-3)21(26)25-18-7-5-4-6-17(18)22(27)24-12-11-23/h4-9,14-15H,10-13,23H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide?
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide has a molecular weight of 399.49 g/mol, XLogP of 3.06, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 120603434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).