N-[3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]propyl]formamide

C18H28N2O2 — CID 143107787

IUPACN-[3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]propyl]formamide
SMILESCC(C)(C)Cc1ccc2c(c1)[C@@H](NCCCNC=O)CCO2
InChIInChI=1S/C18H28N2O2/c1-18(2,3)12-14-5-6-17-15(11-14)16(7-10-22-17)20-9-4-8-19-13-21/h5-6,11,13,16,20H,4,7-10,12H2,1-3H3,(H,19,21)/t16-/m0/s1
InChIKeyOOUDPEYLPVHXAA-INIZCTEOSA-N
MW304.43 g/mol
LogP2.82
Rot. Bonds7

About N-[3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]propyl]formamide

N-[3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]propyl]formamide (PubChem CID 143107787) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]propyl]formamide.

Molecular Properties

Compound NameN-[3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]propyl]formamide
PubChem CID143107787
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]propyl]formamide
SMILESCC(C)(C)Cc1ccc2c(c1)[C@@H](NCCCNC=O)CCO2
InChIInChI=1S/C18H28N2O2/c1-18(2,3)12-14-5-6-17-15(11-14)16(7-10-22-17)20-9-4-8-19-13-21/h5-6,11,13,16,20H,4,7-10,12H2,1-3H3,(H,19,21)/t16-/m0/s1
InChIKeyOOUDPEYLPVHXAA-INIZCTEOSA-N
XLogP2.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]propyl]formamide
CID 143116973
N,7-dipropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 62549764
(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]butan-2-ol
CID 59599357
N-[(3R)-1-(3,5-difluorophenyl)-4-[[6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 59129130
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[[(4R)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]-3-hydroxybutan-2-yl]-2-fluoroacetamide
CID 69471488
(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 94276035
N-[(2S,3S)-4-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 68536170
N-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82461541
7-butyl-N-ethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 113322711
4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid
CID 105477435
4-(3,5-difluorophenyl)-1-[[6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]-3-(tetrazol-1-yl)butan-2-ol
CID 59599159

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]propyl]formamide?
The IUPAC name of N-[3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]propyl]formamide (CID 143107787) is N-[3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]propyl]formamide.
What is the SMILES notation for N-[3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]propyl]formamide?
The canonical SMILES for N-[3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]propyl]formamide is CC(C)(C)Cc1ccc2c(c1)[C@@H](NCCCNC=O)CCO2.
What is the InChIKey of N-[3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]propyl]formamide?
The InChIKey is OOUDPEYLPVHXAA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,3)12-14-5-6-17-15(11-14)16(7-10-22-17)20-9-4-8-19-13-21/h5-6,11,13,16,20H,4,7-10,12H2,1-3H3,(H,19,21)/t16-/m0/s1.
What are the key properties of N-[3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]propyl]formamide?
N-[3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]propyl]formamide has a molecular weight of 304.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4S)-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]propyl]formamide is sourced from PubChem (CID 143107787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).