N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide

C18H21N5O3 — CID 55677891

IUPACN-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)NCc2ccc(NC(N)=O)cc2)c1
InChIInChI=1S/C18H21N5O3/c1-12-3-2-4-15(9-12)23-18(26)21-11-16(24)20-10-13-5-7-14(8-6-13)22-17(19)25/h2-9H,10-11H2,1H3,(H,20,24)(H3,19,22,25)(H2,21,23,26)
InChIKeyOOXRCNAEIRIABC-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.92
Rot. Bonds6

About N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide

N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide (PubChem CID 55677891) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
PubChem CID55677891
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)NCc2ccc(NC(N)=O)cc2)c1
InChIInChI=1S/C18H21N5O3/c1-12-3-2-4-15(9-12)23-18(26)21-11-16(24)20-10-13-5-7-14(8-6-13)22-17(19)25/h2-9H,10-11H2,1H3,(H,20,24)(H3,19,22,25)(H2,21,23,26)
InChIKeyOOXRCNAEIRIABC-UHFFFAOYSA-N
XLogP1.92
TPSA125.35 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 38294266
2-[(3-methylphenyl)carbamoylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 38743284
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674
N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride
CID 119438626
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
2-[(3-methylphenyl)carbamoylamino]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55963988
3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide
CID 86983305
N-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide
CID 14996884
1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea
CID 108884386
N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
CID 51178267
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 108999782

Frequently Asked Questions

What is the IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide?
The IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide (CID 55677891) is N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide.
What is the SMILES notation for N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide?
The canonical SMILES for N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide is Cc1cccc(NC(=O)NCC(=O)NCc2ccc(NC(N)=O)cc2)c1.
What is the InChIKey of N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide?
The InChIKey is OOXRCNAEIRIABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-12-3-2-4-15(9-12)23-18(26)21-11-16(24)20-10-13-5-7-14(8-6-13)22-17(19)25/h2-9H,10-11H2,1H3,(H,20,24)(H3,19,22,25)(H2,21,23,26).
What are the key properties of N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide?
N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide has a molecular weight of 355.40 g/mol, XLogP of 1.92, 6 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide is sourced from PubChem (CID 55677891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).