4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]-2,3-dihydrochromene-4-carboxamide

C19H21N3O3 — CID 166320614

IUPAC4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]-2,3-dihydrochromene-4-carboxamide
SMILESNCc1ccc(CC(=O)NC2(C(N)=O)CCOc3ccccc32)cc1
InChIInChI=1S/C19H21N3O3/c20-12-14-7-5-13(6-8-14)11-17(23)22-19(18(21)24)9-10-25-16-4-2-1-3-15(16)19/h1-8H,9-12,20H2,(H2,21,24)(H,22,23)
InChIKeyZDYTUWYWQPRWNJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.97
Rot. Bonds5

About 4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]-2,3-dihydrochromene-4-carboxamide

4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]-2,3-dihydrochromene-4-carboxamide (PubChem CID 166320614) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]-2,3-dihydrochromene-4-carboxamide.

Molecular Properties

Compound Name4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]-2,3-dihydrochromene-4-carboxamide
PubChem CID166320614
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]-2,3-dihydrochromene-4-carboxamide
SMILESNCc1ccc(CC(=O)NC2(C(N)=O)CCOc3ccccc32)cc1
InChIInChI=1S/C19H21N3O3/c20-12-14-7-5-13(6-8-14)11-17(23)22-19(18(21)24)9-10-25-16-4-2-1-3-15(16)19/h1-8H,9-12,20H2,(H2,21,24)(H,22,23)
InChIKeyZDYTUWYWQPRWNJ-UHFFFAOYSA-N
XLogP0.97
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromoanilino)-2,3-dihydrochromene-4-carboxamide
CID 61006134
4-(3-azidopropylamino)-2,3-dihydrochromene-4-carboxamide
CID 66191314
4-hydroxy-2,3-dihydrochromene-4-carboxamide
CID 62224010
2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide
CID 95984816
ethyl 4-(propylamino)-2,3-dihydrochromene-4-carboxylate
CID 54918588
N-(4-carbamoyl-2,3-dihydrochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411352
ethyl 4-(cyclopropylmethylamino)-2,3-dihydrochromene-4-carboxylate
CID 61001856
(4R)-4-(carbamoylamino)-6-fluoro-2,3-dihydrochromene-4-carboxylic acid;2-phenylethanamine
CID 173424452
ethyl 4-(cyclopentylamino)-2,3-dihydrochromene-4-carboxylate
CID 60997341
4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride
CID 12914868
4-[(4-iodophenyl)methyl]-2,3-dihydrochromene-4-carboxylic acid
CID 65491381
1-[(4-chlorophenyl)methyl]-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 71788977

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]-2,3-dihydrochromene-4-carboxamide?
The IUPAC name of 4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]-2,3-dihydrochromene-4-carboxamide (CID 166320614) is 4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]-2,3-dihydrochromene-4-carboxamide.
What is the SMILES notation for 4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]-2,3-dihydrochromene-4-carboxamide?
The canonical SMILES for 4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]-2,3-dihydrochromene-4-carboxamide is NCc1ccc(CC(=O)NC2(C(N)=O)CCOc3ccccc32)cc1.
What is the InChIKey of 4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]-2,3-dihydrochromene-4-carboxamide?
The InChIKey is ZDYTUWYWQPRWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c20-12-14-7-5-13(6-8-14)11-17(23)22-19(18(21)24)9-10-25-16-4-2-1-3-15(16)19/h1-8H,9-12,20H2,(H2,21,24)(H,22,23).
What are the key properties of 4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]-2,3-dihydrochromene-4-carboxamide?
4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]-2,3-dihydrochromene-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]-2,3-dihydrochromene-4-carboxamide is sourced from PubChem (CID 166320614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).