4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide

C19H21N3O3 — CID 75371278

IUPAC4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide
SMILESNC(=O)NCc1ccc(C(=O)Nc2ccc(OCC3CC3)cc2)cc1
InChIInChI=1S/C19H21N3O3/c20-19(24)21-11-13-3-5-15(6-4-13)18(23)22-16-7-9-17(10-8-16)25-12-14-1-2-14/h3-10,14H,1-2,11-12H2,(H,22,23)(H3,20,21,24)
InChIKeyMVCKVCXGGNVNSU-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.90
Rot. Bonds7

About 4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide

4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide (PubChem CID 75371278) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide
PubChem CID75371278
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide
SMILESNC(=O)NCc1ccc(C(=O)Nc2ccc(OCC3CC3)cc2)cc1
InChIInChI=1S/C19H21N3O3/c20-19(24)21-11-13-3-5-15(6-4-13)18(23)22-16-7-9-17(10-8-16)25-12-14-1-2-14/h3-10,14H,1-2,11-12H2,(H,22,23)(H3,20,21,24)
InChIKeyMVCKVCXGGNVNSU-UHFFFAOYSA-N
XLogP2.90
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 119325256
4-[[4-(cyclopropylmethoxy)benzoyl]amino]benzamide
CID 60571619
4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide
CID 35614200
4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide
CID 58111737
4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898305
4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide
CID 46649852
4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 36557221
4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide
CID 35018877
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
[4-[[4-(cyclohexylmethoxy)phenyl]methylcarbamoyl]phenyl] dihydrogen phosphate
CID 10812007
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671
4-(cyclopropylmethoxy)-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]benzamide
CID 129168486

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide (CID 75371278) is 4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide is NC(=O)NCc1ccc(C(=O)Nc2ccc(OCC3CC3)cc2)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide?
The InChIKey is MVCKVCXGGNVNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c20-19(24)21-11-13-3-5-15(6-4-13)18(23)22-16-7-9-17(10-8-16)25-12-14-1-2-14/h3-10,14H,1-2,11-12H2,(H,22,23)(H3,20,21,24).
What are the key properties of 4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide?
4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide has a molecular weight of 339.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide is sourced from PubChem (CID 75371278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).