(2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide

C11H22ClNO — CID 92660565

IUPAC(2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide
SMILESCC(C)CCC[C@H](C)NC(=O)[C@H](C)Cl
InChIInChI=1S/C11H22ClNO/c1-8(2)6-5-7-9(3)13-11(14)10(4)12/h8-10H,5-7H2,1-4H3,(H,13,14)/t9-,10-/m0/s1
InChIKeyJZPOHFUKRZAMPA-UWVGGRQHSA-N
MW219.76 g/mol
LogP2.94
Rot. Bonds6

About (2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide

(2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide (PubChem CID 92660565) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is (2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide
PubChem CID92660565
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name(2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide
SMILESCC(C)CCC[C@H](C)NC(=O)[C@H](C)Cl
InChIInChI=1S/C11H22ClNO/c1-8(2)6-5-7-9(3)13-11(14)10(4)12/h8-10H,5-7H2,1-4H3,(H,13,14)/t9-,10-/m0/s1
InChIKeyJZPOHFUKRZAMPA-UWVGGRQHSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methylheptan-2-yl)-2-sulfanylpropanamide
CID 107025134
(2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide
CID 14711535
N-butan-2-yl-2-(6-methylheptan-2-ylamino)propanamide
CID 60719517
3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
CID 62229876
2-amino-N-(6-methylheptan-2-yl)acetamide
CID 60718868
2-amino-4,4-difluoro-N-(6-methylheptan-2-yl)butanamide
CID 167758669
3-amino-2-methoxy-N-(6-methylheptan-2-yl)propanamide
CID 106112569
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide
CID 61253857
2,2,2-trifluoro-N-(6-methylheptan-2-yl)acetamide
CID 11564832
1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea
CID 94702761
N-(6-methylheptan-2-yl)butanamide
CID 60644759
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119262982

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide?
The IUPAC name of (2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide (CID 92660565) is (2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide?
The canonical SMILES for (2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide is CC(C)CCC[C@H](C)NC(=O)[C@H](C)Cl.
What is the InChIKey of (2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide?
The InChIKey is JZPOHFUKRZAMPA-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-8(2)6-5-7-9(3)13-11(14)10(4)12/h8-10H,5-7H2,1-4H3,(H,13,14)/t9-,10-/m0/s1.
What are the key properties of (2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide?
(2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide has a molecular weight of 219.76 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide is sourced from PubChem (CID 92660565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).