N-[(1S)-3-amino-1-(4-chlorophenyl)-3-oxopropyl]-3,4-dihydro-2H-pyran-6-carboxamide

C15H17ClN2O3 — CID 100904694

IUPACN-[(1S)-3-amino-1-(4-chlorophenyl)-3-oxopropyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESNC(=O)C[C@H](NC(=O)C1=CCCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O3/c16-11-6-4-10(5-7-11)12(9-14(17)19)18-15(20)13-3-1-2-8-21-13/h3-7,12H,1-2,8-9H2,(H2,17,19)(H,18,20)/t12-/m0/s1
InChIKeyMFJSSYZGOYKXGJ-LBPRGKRZSA-N
MW308.76 g/mol
LogP2.07
Rot. Bonds5

About N-[(1S)-3-amino-1-(4-chlorophenyl)-3-oxopropyl]-3,4-dihydro-2H-pyran-6-carboxamide

N-[(1S)-3-amino-1-(4-chlorophenyl)-3-oxopropyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 100904694) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is N-[(1S)-3-amino-1-(4-chlorophenyl)-3-oxopropyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-amino-1-(4-chlorophenyl)-3-oxopropyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID100904694
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC NameN-[(1S)-3-amino-1-(4-chlorophenyl)-3-oxopropyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESNC(=O)C[C@H](NC(=O)C1=CCCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O3/c16-11-6-4-10(5-7-11)12(9-14(17)19)18-15(20)13-3-1-2-8-21-13/h3-7,12H,1-2,8-9H2,(H2,17,19)(H,18,20)/t12-/m0/s1
InChIKeyMFJSSYZGOYKXGJ-LBPRGKRZSA-N
XLogP2.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 102554840
(3S)-3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 7014996
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
CID 2424184
(3S)-3-(4-chlorophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 717591
(4-chlorophenyl)methyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8608684
3-(4-aminophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648498
(3S)-3-amino-3-(4-chlorophenyl)propanamide
CID 29060060
propyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 43020953
methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate
CID 40813309
2-(4-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethanone
CID 102650858
2-(4-chlorophenoxy)ethyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8606683
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-amino-1-(4-chlorophenyl)-3-oxopropyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[(1S)-3-amino-1-(4-chlorophenyl)-3-oxopropyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 100904694) is N-[(1S)-3-amino-1-(4-chlorophenyl)-3-oxopropyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[(1S)-3-amino-1-(4-chlorophenyl)-3-oxopropyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[(1S)-3-amino-1-(4-chlorophenyl)-3-oxopropyl]-3,4-dihydro-2H-pyran-6-carboxamide is NC(=O)C[C@H](NC(=O)C1=CCCCO1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-3-amino-1-(4-chlorophenyl)-3-oxopropyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is MFJSSYZGOYKXGJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c16-11-6-4-10(5-7-11)12(9-14(17)19)18-15(20)13-3-1-2-8-21-13/h3-7,12H,1-2,8-9H2,(H2,17,19)(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(1S)-3-amino-1-(4-chlorophenyl)-3-oxopropyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[(1S)-3-amino-1-(4-chlorophenyl)-3-oxopropyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 308.76 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-amino-1-(4-chlorophenyl)-3-oxopropyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 100904694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).