(2S)-2-[(3-amino-2-hydroxypropyl)amino]-N-tert-butyl-3-cyclohexylpropanamide

C16H33N3O2 — CID 10017644

IUPAC(2S)-2-[(3-amino-2-hydroxypropyl)amino]-N-tert-butyl-3-cyclohexylpropanamide
SMILESCC(C)(C)NC(=O)[C@H](CC1CCCCC1)NCC(O)CN
InChIInChI=1S/C16H33N3O2/c1-16(2,3)19-15(21)14(18-11-13(20)10-17)9-12-7-5-4-6-8-12/h12-14,18,20H,4-11,17H2,1-3H3,(H,19,21)/t13?,14-/m0/s1
InChIKeyQXSKZKZAUXHQNP-KZUDCZAMSA-N
MW299.46 g/mol
LogP1.15
Rot. Bonds7

About (2S)-2-[(3-amino-2-hydroxypropyl)amino]-N-tert-butyl-3-cyclohexylpropanamide

(2S)-2-[(3-amino-2-hydroxypropyl)amino]-N-tert-butyl-3-cyclohexylpropanamide (PubChem CID 10017644) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is (2S)-2-[(3-amino-2-hydroxypropyl)amino]-N-tert-butyl-3-cyclohexylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3-amino-2-hydroxypropyl)amino]-N-tert-butyl-3-cyclohexylpropanamide
PubChem CID10017644
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name(2S)-2-[(3-amino-2-hydroxypropyl)amino]-N-tert-butyl-3-cyclohexylpropanamide
SMILESCC(C)(C)NC(=O)[C@H](CC1CCCCC1)NCC(O)CN
InChIInChI=1S/C16H33N3O2/c1-16(2,3)19-15(21)14(18-11-13(20)10-17)9-12-7-5-4-6-8-12/h12-14,18,20H,4-11,17H2,1-3H3,(H,19,21)/t13?,14-/m0/s1
InChIKeyQXSKZKZAUXHQNP-KZUDCZAMSA-N
XLogP1.15
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexyl-2-methylpropanamide;hydrochloride
CID 119574532
N-tert-butyl-2-(2-cyclopentylethylamino)propanamide
CID 60734573
N-(3-amino-2-methylpropyl)-3-cyclohexyl-2-methylpropanamide
CID 119996085
[(2S)-3-cyclohexyl-1-hydrazinyl-1-oxopropan-2-yl] N-tert-butylcarbamate
CID 175450748
1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 59033305
(2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide
CID 112735424
N-tert-butyl-3-cyclopentyl-2-(cyclopentylmethoxy)propanamide
CID 20790258
N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide
CID 20790222
1-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 23555113
N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide
CID 119407411
N-tert-butyl-2-(1-cyclohexylethylamino)propanamide
CID 62405402
4-[(3-cyclohexyl-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 119204002

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-amino-2-hydroxypropyl)amino]-N-tert-butyl-3-cyclohexylpropanamide?
The IUPAC name of (2S)-2-[(3-amino-2-hydroxypropyl)amino]-N-tert-butyl-3-cyclohexylpropanamide (CID 10017644) is (2S)-2-[(3-amino-2-hydroxypropyl)amino]-N-tert-butyl-3-cyclohexylpropanamide.
What is the SMILES notation for (2S)-2-[(3-amino-2-hydroxypropyl)amino]-N-tert-butyl-3-cyclohexylpropanamide?
The canonical SMILES for (2S)-2-[(3-amino-2-hydroxypropyl)amino]-N-tert-butyl-3-cyclohexylpropanamide is CC(C)(C)NC(=O)[C@H](CC1CCCCC1)NCC(O)CN.
What is the InChIKey of (2S)-2-[(3-amino-2-hydroxypropyl)amino]-N-tert-butyl-3-cyclohexylpropanamide?
The InChIKey is QXSKZKZAUXHQNP-KZUDCZAMSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-16(2,3)19-15(21)14(18-11-13(20)10-17)9-12-7-5-4-6-8-12/h12-14,18,20H,4-11,17H2,1-3H3,(H,19,21)/t13?,14-/m0/s1.
What are the key properties of (2S)-2-[(3-amino-2-hydroxypropyl)amino]-N-tert-butyl-3-cyclohexylpropanamide?
(2S)-2-[(3-amino-2-hydroxypropyl)amino]-N-tert-butyl-3-cyclohexylpropanamide has a molecular weight of 299.46 g/mol, XLogP of 1.15, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-amino-2-hydroxypropyl)amino]-N-tert-butyl-3-cyclohexylpropanamide is sourced from PubChem (CID 10017644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).