N-[4-[[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]phenyl]propanamide

C19H21N3O3 — CID 95630466

IUPACN-[4-[[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)N[C@@H]2CCc3c(O)cccc32)cc1
InChIInChI=1S/C19H21N3O3/c1-2-18(24)20-12-6-8-13(9-7-12)21-19(25)22-16-11-10-15-14(16)4-3-5-17(15)23/h3-9,16,23H,2,10-11H2,1H3,(H,20,24)(H2,21,22,25)/t16-/m1/s1
InChIKeyCFLFSJHODCLEOB-MRXNPFEDSA-N
MW339.40 g/mol
LogP3.55
Rot. Bonds4

About N-[4-[[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]phenyl]propanamide

N-[4-[[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]phenyl]propanamide (PubChem CID 95630466) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[4-[[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]phenyl]propanamide
PubChem CID95630466
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[4-[[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)N[C@@H]2CCc3c(O)cccc32)cc1
InChIInChI=1S/C19H21N3O3/c1-2-18(24)20-12-6-8-13(9-7-12)21-19(25)22-16-11-10-15-14(16)4-3-5-17(15)23/h3-9,16,23H,2,10-11H2,1H3,(H,20,24)(H2,21,22,25)/t16-/m1/s1
InChIKeyCFLFSJHODCLEOB-MRXNPFEDSA-N
XLogP3.55
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 95146524
1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109390056
1-[(2-methylcyclopropyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 62397315
1-[2-(4-bromophenyl)-2-hydroxybutyl]-3-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 166220589
N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 95626542
1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 43636908
2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 95934372
1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 5221280
N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide
CID 47033628
N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide
CID 96517025
3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 43637173
5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide
CID 95769418

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]phenyl]propanamide?
The IUPAC name of N-[4-[[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]phenyl]propanamide (CID 95630466) is N-[4-[[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]phenyl]propanamide?
The canonical SMILES for N-[4-[[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)N[C@@H]2CCc3c(O)cccc32)cc1.
What is the InChIKey of N-[4-[[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]phenyl]propanamide?
The InChIKey is CFLFSJHODCLEOB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-18(24)20-12-6-8-13(9-7-12)21-19(25)22-16-11-10-15-14(16)4-3-5-17(15)23/h3-9,16,23H,2,10-11H2,1H3,(H,20,24)(H2,21,22,25)/t16-/m1/s1.
What are the key properties of N-[4-[[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]phenyl]propanamide?
N-[4-[[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]phenyl]propanamide has a molecular weight of 339.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]phenyl]propanamide is sourced from PubChem (CID 95630466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).